Make chemoinformatics coding more easily ! #RDKit #datamol

I love RDKit because it supports lots of chemoinformatics features and it is supported top level scientific community.

But for eary chemoinformacian, it’s required to learn python or C++ to write chemoinformatics code. As you know, Knime is good option for no-code chemoinformtatics. And another option for beginner is good wrapper of rdkit

Recently the package named datamol is intorduced in my TL.

You can install datamol via conda command. And datamol is inroduced at RDKitUGM 2021!

I used datamol today. And I felt that datamol is useful tool for chemoinformatics because it wrapps lots of rdkit functions and it makes easy to use.

My example was uploaded on my gist.

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I think it is important for these kinds of package is Sustainability. So I hope datamol will be maintained long term.

If reader has interesd datamol, please install your environment and try it ;)


Published by iwatobipen

I'm medicinal chemist in mid size of pharmaceutical company. I love chemoinfo, cording, organic synthesis, my family.

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